N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide

C23H35N5O3 — CID 110038043

IUPACN,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H35N5O3/c1-26(2)21(29)18-25-23(24-11-8-19-6-4-3-5-7-19)28-12-9-20(10-13-28)22(30)27-14-16-31-17-15-27/h3-7,20H,8-18H2,1-2H3,(H,24,25)
InChIKeyMYLRARUARRTZQW-UHFFFAOYSA-N
MW429.57 g/mol
LogP0.83
Rot. Bonds6

About N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide (PubChem CID 110038043) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide
PubChem CID110038043
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC NameN,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H35N5O3/c1-26(2)21(29)18-25-23(24-11-8-19-6-4-3-5-7-19)28-12-9-20(10-13-28)22(30)27-14-16-31-17-15-27/h3-7,20H,8-18H2,1-2H3,(H,24,25)
InChIKeyMYLRARUARRTZQW-UHFFFAOYSA-N
XLogP0.83
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide with MolForge

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Related Compounds

methyl 1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111541543
N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(propylamino)methylidene]amino]acetamide
CID 110038045
N'-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 110053616
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-phenylethyl)carbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 110044089
2-[[(3,5-dimethylpiperidin-1-yl)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538827
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539273
N'-benzyl-N-[2-(furan-2-yl)ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346360
2-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042468
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(4-phenoxypiperidin-1-yl)methylidene]amino]acetamide
CID 110042829
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050091
N,N-dimethyl-2-[[[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110043942
2-[[3,4-dihydro-1H-isoquinolin-2-yl-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111492271

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide (CID 110038043) is N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCc1ccccc1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide?
The InChIKey is MYLRARUARRTZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-26(2)21(29)18-25-23(24-11-8-19-6-4-3-5-7-19)28-12-9-20(10-13-28)22(30)27-14-16-31-17-15-27/h3-7,20H,8-18H2,1-2H3,(H,24,25).
What are the key properties of N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide has a molecular weight of 429.57 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110038043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).